3-chlorothiophene-2-sulfonyl chloride

C4H2Cl2O2S2 — CID 54346504

IUPAC3-chlorothiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1sccc1Cl
InChIInChI=1S/C4H2Cl2O2S2/c5-3-1-2-9-4(3)10(6,7)8/h1-2H
InChIKeyUCQWIDZBMUWIKV-UHFFFAOYSA-N
MW217.10 g/mol
LogP2.33
Rot. Bonds1

About 3-chlorothiophene-2-sulfonyl chloride

3-chlorothiophene-2-sulfonyl chloride (PubChem CID 54346504) has the molecular formula C4H2Cl2O2S2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 3-chlorothiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-chlorothiophene-2-sulfonyl chloride
PubChem CID54346504
Molecular FormulaC4H2Cl2O2S2
Molecular Weight217.10 g/mol
Exact Mass215.89
IUPAC Name3-chlorothiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1sccc1Cl
InChIInChI=1S/C4H2Cl2O2S2/c5-3-1-2-9-4(3)10(6,7)8/h1-2H
InChIKeyUCQWIDZBMUWIKV-UHFFFAOYSA-N
XLogP2.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chlorothiophene-2-sulfonyl chloride?
The IUPAC name of 3-chlorothiophene-2-sulfonyl chloride (CID 54346504) is 3-chlorothiophene-2-sulfonyl chloride.
What is the SMILES notation for 3-chlorothiophene-2-sulfonyl chloride?
The canonical SMILES for 3-chlorothiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1sccc1Cl.
What is the InChIKey of 3-chlorothiophene-2-sulfonyl chloride?
The InChIKey is UCQWIDZBMUWIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2O2S2/c5-3-1-2-9-4(3)10(6,7)8/h1-2H.
What are the key properties of 3-chlorothiophene-2-sulfonyl chloride?
3-chlorothiophene-2-sulfonyl chloride has a molecular weight of 217.10 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorothiophene-2-sulfonyl chloride is sourced from PubChem (CID 54346504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).